Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM179501'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM179501 (US9126976, 32) Show SMILES O[C@H](CN1[C@@H](CN(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H20Cl2F6N2O/c26-18-8-15(9-19(27)11-18)12-34-13-22(16-4-3-5-17(10-16)24(28,29)30)35(14-23(36)25(31,32)33)21-7-2-1-6-20(21)34/h1-11,22-23,36H,12-14H2/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...				US Patent US9126976 (2015) BindingDB Entry DOI: 10.7270/Q25B018M
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